CID 3025109

Pyridine, 3-((ethylthio)methyl)-

Structural Information

Molecular Formula
C8H11NS
SMILES
CCSCC1=CN=CC=C1
InChI
InChI=1S/C8H11NS/c1-2-10-7-8-4-3-5-9-6-8/h3-6H,2,7H2,1H3
InChIKey
ZAZDQWPWEXULPL-UHFFFAOYSA-N
Compound name
3-(ethylsulfanylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

153.06122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 129.1
[M+Na]+ 176.05044 137.4
[M-H]- 152.05394 131.6
[M+NH4]+ 171.09504 149.7
[M+K]+ 192.02438 134.8
[M+H-H2O]+ 136.05848 122.9
[M+HCOO]- 198.05942 147.6
[M+CH3COO]- 212.07507 175.0
[M+Na-2H]- 174.03589 134.4
[M]+ 153.06067 131.4
[M]- 153.06177 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe